SCHEMBL5219288

SCHEMBL5219288

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR35 Q9HC97 4/20 0.46
MAPT P10636 3/20 0.46
HIF1A Q16665 2/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11797065 0.84 ALDH1A1 (0.50) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL1740988 0.84 ALDH1A1 (0.46) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL912596 0.84 TTR (0.45) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL1509253 0.81 CA1 (0.56) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL1039209 0.81 DTYMK (0.46) CA1CA2ALDH1A1LMNAGPR35
SCHEMBL25287029 0.81 ALDH1A1 (0.44) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL12931078 0.81 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1GPR35
SCHEMBL18342840 0.81 GPR35 (0.51) CA1CA2ALDH1A1LMNAGPR35
SCHEMBL24723042 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GPR35MAPT
SCHEMBL1461739 0.81 DTYMK (0.42) ALDH1A1HPGDCYP1A2TTRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218803-A A kind of method of hexa-atomic imines cycle compound and the hexa-atomic imines cycle compound of one pot process 首都医科大学 2018-06-29 CN disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT CA1 1541/4885CA2 1237/4885ALDH1A1 1261/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CA1 2419/4885CA2 4158/4885ALDH1A1 3102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.